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CHEBI:193138 - 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl

ChEBI IDCHEBI:193138
ChEBI Name4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl
Stars
DefinitionA diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 4, 4', and 5 and a methoxy groups at positions 3 and 3'. It is isolated from Dendrobium ellipsophyllum and sensitizes lung cancer cells to anoikis.
Last Modified26 September 2023
Submitterslaulederkind
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCOc1cc(CCc2cc(O)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H18O5/c1-20-14-8-10(5-6-12(14)17)3-4-11-7-13(18)16(19)15(9-11)21-2/h5-9,17-19H,3-4H2,1-2H3
InChIKeyDAQVNMKZMKBKOF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dendrobium ellipsophyllum (ncbitaxon:179353) whole plant (BTO:0001461) PubMed (24692728)
Dendrobium pachyglossum (ncbitaxon:906810) - PubMed (33562174)
Dendrobium secundum (ncbitaxon:37622) aerial part (BTO:0001658) PubMed (21812336)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antilipemic drug  A substance used to treat hyperlipidemia (an excess of lipids in the blood).
ChEBI Ontology
Outgoing Relation(s)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has parent hydride 1,2-dihydrostilbene (CHEBI:34047)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has role antilipemic drug (CHEBI:35679)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has role antineoplastic agent (CHEBI:35610)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has role plant metabolite (CHEBI:76924)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) is a catechols (CHEBI:33566)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) is a diphenylethane (CHEBI:51571)
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxybenzene-1,2-diol
Synonyms  Source
4,5,4'-trihydroxy-3,3'-dimethoxybibenzylSUBMITTER
TDBSUBMITTER
3',5-dimethoxybibenzyl-3,4,4'-triolChEBI
Citations